N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O4/c1-3-10-25-20(28)15-7-5-4-6-14(15)18(24-25)19(27)23-22-12(2)13-8-9-16(21)17(11-13)26(29)30/h4-9,11H,3,10H2,1-2H3,(H,23,27)/b22-12+